N-(4-methoxyphenyl)-4-phenylpiperazine-1-carboxamide

C18H21N3O2 — CID 846932

IUPACN-(4-methoxyphenyl)-4-phenylpiperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C18H21N3O2/c1-23-17-9-7-15(8-10-17)19-18(22)21-13-11-20(12-14-21)16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,19,22)
InChIKeyRBJUDQZCCGWAIM-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.05
Rot. Bonds3

About N-(4-methoxyphenyl)-4-phenylpiperazine-1-carboxamide

N-(4-methoxyphenyl)-4-phenylpiperazine-1-carboxamide (PubChem CID 846932) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-phenylpiperazine-1-carboxamide
PubChem CID846932
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC NameN-(4-methoxyphenyl)-4-phenylpiperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C18H21N3O2/c1-23-17-9-7-15(8-10-17)19-18(22)21-13-11-20(12-14-21)16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,19,22)
InChIKeyRBJUDQZCCGWAIM-UHFFFAOYSA-N
XLogP3.05
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-phenylpiperazine-1-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-4-phenylpiperazine-1-carboxamide (CID 846932) is N-(4-methoxyphenyl)-4-phenylpiperazine-1-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-phenylpiperazine-1-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-phenylpiperazine-1-carboxamide is COc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-phenylpiperazine-1-carboxamide?
The InChIKey is RBJUDQZCCGWAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-23-17-9-7-15(8-10-17)19-18(22)21-13-11-20(12-14-21)16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,19,22).
What are the key properties of N-(4-methoxyphenyl)-4-phenylpiperazine-1-carboxamide?
N-(4-methoxyphenyl)-4-phenylpiperazine-1-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 846932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).